Methyl-2-pyridylketon-4-isopropyl-3-thiosemicarbazon | 144977-79-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: Methyl-2-pyridylketon-4-isopropyl-3-thiosemicarbazon
• 英文别名: 1-Propan-2-yl-3-(1-pyridin-2-ylethylideneamino)thiourea；1-propan-2-yl-3-(1-pyridin-2-ylethylideneamino)thiourea
• CAS: 144977-79-7
• 化学式: C₁₁H₁₆N₄S
• 分子量: 236.341
• InChiKey: XACGGLYNUPBLKM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  81.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  Methyl-2-pyridylketon-4-isopropyl-3-thiosemicarbazon 、 三甲基镓 以 甲苯 为溶剂， 生成
  参考文献：
  名称：

  Unusual Coordination Chemistry of Organoaluminum and -gallium Complexes in N₂S and NS Coordination Environments. Synthesis and Crystal Structure of (Me₂Al)[NC₅H₄CMeNNC(S)NC₃H₇](AlMe₂) and (Me₂Ga)[PhMeCNNC(S)NPh](GaMe₂)

  摘要：

  The synthesis and characterization of the dinucl ear group 13 heterocyclic carboxaldehyde thiosemicarbazone complexes (Me2M)[NC5H4CMeNNC(S)NR](MMe2) (M = Al, R = Me (1), (C3H7)-C-i (3), Ph (5); M = Ga, R = Me (2), (C3H7)-C-i (4), Ph (6)) and acetophenone thiosemicarbazone complexes (Me2M)(CH3RCNNC(S)NR')(MMe2) (M = Al, R = Ph, R' = Ph (7); M = Al, R = CH3, R' = CH, (9); M = Ga, R = Ph, R' = Ph (8); M = Ga R = CH3, R' = CH3 (10)) are described. Compounds 1-6 were prepared by the reaction of MMe3 (M = Al, Ga) with 2-acetylpyridine 4-alkylthiosemicarbazone in toluene. Compounds 7-10 were prepared using MMe3 (M = Al, Ga) in toluene with acetophenone 4-alkylthiosemicarbazone under anaerobic conditions. These compounds, 1-10, have been characterized by microanalysis, NMR (H-1, C-13, Al-27) spectroscopy, and single-crystal X-ray diffraction. X-ray single-crystal diffraction analyses reveal that compound 3 is a dinuclear aluminum compound with coordination numbers of five and four and compound 8 is a dinuclear gallium compound in which each gallium atom is four-coordinate.

  DOI：

  10.1021/om960778m

文献信息

• Unusual Coordination Chemistry of Organoaluminum and -gallium Complexes in N₂S and NS Coordination Environments. Synthesis and Crystal Structure of (Me₂Al)[NC₅H₄CMeNNC(S)NC₃H₇](AlMe₂) and (Me₂Ga)[PhMeCNNC(S)NPh](GaMe₂)
  作者：Cheolki Paek、Sang Ook Kang、Jaejung Ko、Patrick J. Carroll

  DOI：10.1021/om960778m

  日期：1997.5.1

  The synthesis and characterization of the dinucl ear group 13 heterocyclic carboxaldehyde thiosemicarbazone complexes (Me2M)[NC5H4CMeNNC(S)NR](MMe2) (M = Al, R = Me (1), (C3H7)-C-i (3), Ph (5); M = Ga, R = Me (2), (C3H7)-C-i (4), Ph (6)) and acetophenone thiosemicarbazone complexes (Me2M)(CH3RCNNC(S)NR')(MMe2) (M = Al, R = Ph, R' = Ph (7); M = Al, R = CH3, R' = CH, (9); M = Ga, R = Ph, R' = Ph (8); M = Ga R = CH3, R' = CH3 (10)) are described. Compounds 1-6 were prepared by the reaction of MMe3 (M = Al, Ga) with 2-acetylpyridine 4-alkylthiosemicarbazone in toluene. Compounds 7-10 were prepared using MMe3 (M = Al, Ga) in toluene with acetophenone 4-alkylthiosemicarbazone under anaerobic conditions. These compounds, 1-10, have been characterized by microanalysis, NMR (H-1, C-13, Al-27) spectroscopy, and single-crystal X-ray diffraction. X-ray single-crystal diffraction analyses reveal that compound 3 is a dinuclear aluminum compound with coordination numbers of five and four and compound 8 is a dinuclear gallium compound in which each gallium atom is four-coordinate.